SCHEMBL6787358

SCHEMBL6787358

COc1cc2ccc3c4n(nc3c2cc1-c1cccc([N+](=O)[O-])c1)CCCNC4=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
ADRA2A P08913 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TOP1 P11387 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE4B Q07343 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6793554 0.87 ALPL (0.34) POLBADRA2AADRA2BADRA2CMAPT
SCHEMBL6787144 0.78 MEN1 (0.39) POLBADRA2AADRA2BADRA2CMAPT
SCHEMBL6786497 0.73 MEN1 (0.40) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL4260060 0.66 ALPL (0.34) ADRA2AADRA2BADRA2CMAPTMEN1
SCHEMBL4444184 0.66 MAPKAPK2 (0.40) MAPTKMT2ATOP1METRAB9A
SCHEMBL14188387 0.66 CDC7 (0.47) MAPTMEN1KMT2AALDH1A1PDE4D
Hydrochloric Acid SCHEMBL4717604 0.65 CDC7 (0.46) MAPTMEN1KMT2AALDH1A1PDE4D
SCHEMBL6788076 0.65 AKR1C3 (0.37) MAPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL6787521 0.65 AKR1C3 (0.38) MAPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL3798699 0.64 MEN1 (0.46) POLBADRA2AADRA2BADRA2CMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 POLB 2849/4885ADRA2A 1728/4885ADRA2B 1657/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.